![N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/896/896290-86-1.png)
N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896290-86-1) is a chemical compound with molecular formula C19H23N5OS and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, F2563-0149, N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-butylphenyl)-2-((5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C19H23N5OS |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.77282 |
| Topological Polar Surface Area | 64.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.16232 |
| Heavy Atoms | 26 |
| Complexity | 839.454 |
Chemical Identifiers
| CAS Number | 896290-86-1 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C |
Product Overview
N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896290-86-1), with molecular formula C19H23N5OS and molecular weight 369.16 g/mol. IUPAC: N-(4-butylphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.77282 indicates that N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 896290-86-1.
What is the molecular formula of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C19H23N5OS.
What is the molecular weight of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 369.16 g/mol.
Where can I buy N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.